SCHEMBL1482864

SCHEMBL1482864

N#Cc1ccc(Cn2c(-c3ccc(Cl)cc3OCC3CC3)nc3cc(F)c(F)cc32)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
KDM1A O60341 3/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GLP1R P43220 3/20 0.34
MCHR1 Q99705 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
CXCR3 P49682 1/20 0.33
PDE10A Q9Y233 1/20 0.33
SLC6A9 P48067 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1482427 0.97 NR1H4 (0.36) CYP11B1CYP11B2KDM1AJAK2JAK1
SCHEMBL1483043 0.97 NR1H4 (0.37) CYP11B1CYP11B2KDM1AJAK2JAK1
SCHEMBL1482217 0.96 NR1H4 (0.38) CYP11B1CYP11B2KDM1AJAK2JAK1
SCHEMBL1482365 0.94 GLP1R (0.37) CYP11B1CYP11B2KDM1AGLP1RPDE10A
SCHEMBL1482910 0.88 GLP1R (0.39) GLP1RPDE10AKCNH2
SCHEMBL1482770 0.88 KCNH2 (0.41) CYP11B1CYP11B2KDM1ANR1H4KCNH2
SCHEMBL1482742 0.88 NPSR1 (0.43) MEN1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1482840 0.87 CYP11B2 (0.34) CYP11B1CYP11B2MEN1CYP1A2CYP2D6
SCHEMBL1482680 0.87 MDM2 (0.39) CYP11B1CYP11B2MEN1CYP1A2CYP2D6
SCHEMBL1482747 0.87 NR1H4 (0.36) CYP11B1CYP11B2CYP2D6CYP2C9GLP1R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309581-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-13 US disclosed
US-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES BRI3BP, CYP3A4, RB1 CYP11B1 190/4885CYP11B2 211/4885KDM1A 1323/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.